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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:12 UTC
Update Date2025-03-25 01:00:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242863
Frequency0.5
Structure
Chemical FormulaC10H14O3
Molecular Mass182.0943
SMILESC=CC(=O)CC1(O)C=CC(O)CC1
InChI KeyVGFPFAHDJXPXFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent b'-hydroxy-alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • beta-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • b'-hydroxy-alpha,beta-unsaturated-ketone
  • ketone
  • tertiary alcohol
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • acryloyl-group
  • enone